The visualization of EMS data in EMSA format has been introduced
We have implemented new processing features to help improve processing for a variety of experiments
Introducing colored peak picking gridlines for 2D data and showing 2D correlations on molecules helps make your assignment workflow easier
The Anasazi benchtop NMR data format has been introduced
We have improved the speed of SMILEQ anaylsis
We are working towards better support of our log-files as audit trails for regulated environments
See what JASON version 5.2 can do for you.
NMR Processing:
Something for people who are interested in reaction monitoring: New processing function to allow for various averaging options for single scan reaction monitoring data as published by A. Flook and G.C.Lloyd-Jones
Reworked “Shear” and “Tilt” processing makes processing of 2DJ and solid-state NMR experiments MQMAS and PASS easier and more robust. Significantly improved processing of Bruker MQMAS spectra.
A new processing item Shift to facilitate cyclic rotation of data along a dimension
New Akima spline option for baseline correction: Akima spline is able to handle outliers well and avoid oscillations that can occur with other spline methods like cubic splines. In some cases it should produce more natural and smooth baseline model for your baseline correction with manually specified baseline points.
Transpose function to swap axes of 2D spectra: Do you like to see your 1H-13C HSQC spectra (for example) with the 13C dimension placed horizontally? This function can do it for you!
NMR Analysis:
Automatic integration for 2D spectra
Linked Integral tab in Settings dedicated for operations on linked integrals of pseudo-2D spectra
It’s possible to enter the total integral value for all integrals or for multiple selected integrals. It’s also possible to change common properties for all selected integrals.
Improvements to support display and linked behavior for non-standard double-quantum single-quantum (DQ-SQ) experiments. Choosing a diagonal slope equal to 2 on an experiment with the unknown type, the experiment will be automatically set as DQ-SQ and cursor mode as well as linked behavior would work correctly as required for 2D DQ-SQ experiments.
NMR assignment:
Gridlines which correspond to assigned signals are shown with different color and opacity
Show 2D NMR correlations on a structure. Highlight corresponding HMBC or COSY
NMR visualization:
It’s now possible to hide the integral marker
Interaction with the spectrum behind annotations is now easier with the new options “Bring Child Items Forward” and “Send Child Items Backward”
NMR formats:
New format is added: NUTS (Legacy NMR processing format produced by NUTS software, currently used by Anasazi benchtop and previously by Oxford Instruments)
Added missing group delay import for Nanalysis files
Recognizes the Oxford Instruments folder structure and load the `*_avg.jdx` data file.
Molecular editor:
Several appearance options can be controlled from the context menu
It’s possible to copy a molecule from JASON to other molecular drawing tools
SMILEQ:
SMILEQ now works much faster
Canvas and GUI:
Transparent background for images placed on the canvas from 3D viewer
It’s possible to paste various items on canvas by copying the filenames of their original files so you can select files in your favourite file browser (like Window Explorer), copy them to clipboard and then paste to JASON and they all appear on the canvas
Watermarks are shown for MS and EDS datasets
Data Integrity:
We are working towards better support of our log-files as audit trails for regulated environment:
The paths of the relevant log files are now recorded in .jjh5
Hash chain are introduced for log-files records to ensure the log file integrity
Files:
Files with numbers in their names are loaded in the number-related order instead of alphabetical order. For example, JASON now will load files with numerical names as “1”, “2”, “11”, “21” instead of the alphabetical order of “1”, “11”, “2”, “21”.
EDS data:
Visualization of EMS data in EMSA format
